Geometry & MOs

Info

ID:	361405
PubChem CID:	127303271
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	333.15896
ΔH_f, kcal/mol:	-40.8
Dipole, Da:	6.72
IP(EA), eV:	-9.5(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(2-methylquinolin-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)N1CC(CC1=O)C(=O)N2CCN3C(=NN=C3C4CC4)C2

DOS

IR

Vibrations